sodium 2-(2-methoxyethoxy)-5-nitro-benzenesulfonate hydrate

Systemtic Name: sodium 2-(2-methoxyethoxy)-5-nitro-benzenesulfonate hydrate Openeye Name: sodium 2-(2-methoxyethoxy)-5-nitro-benzenesulfonate hydrate CAS Name: sodium 2-(2-methoxyethoxy)-5-nitrobenzenesulfonate hydrate IUPAC Name: sodium 2-(2-methoxyethoxy)-5-nitrobenzenesulfonate hydrate Traditional Name: sodium 2-(2-methoxyethoxy)-5-nitro-besylate hydrate Formula: C9H12NNaO8S MolecularWeight: 317.24825

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].O.[Na+]

Isomeric SMILES

COCCOC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].O.[Na+]

InChI

InChI=1S/C9H11NO7S.Na.H2O/c1-16-4-5-17-8-3-2-7(10(11)12)6-9(8)18(13,14)15;;/h2-3,6H,4-5H2,1H3,(H,13,14,15);;1H2/q;+1;/p-1